# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T13:27:34+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 105 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4124777","24.548","","24.548","","24.548","","90","","90","","90","","14792.7","","","","","","","","","","","","","5","F m -3 c","-F 4a 2 3","226","","Ag66.31 Si96 Al96.9 O384 H27","","- Ag66.31 Al96.9 H27 O384 Si96 -","- Ag66.3072 Al96.9 O384 Si96 -","- Ag66.3072 Al96.9 O384 Si96 -","1","0.00520833","","Gellens, L.R.; Pluth, J.J.; Smith, J.V.","Crystal structure of vacuum-dehydrated silver hydrogen zeolite A","Journal of the American Chemical Society","1983","105","","51","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124798","6.563","","11.717","","11.409","","90","","101.63","","90","","859.325","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(S4 N4 H) (B F4)","","- B F4 H N4 S4 -","- B F4 N4 S4 -","- B4 F16 N16 S16 -","4","1","","Cordes, A.W.; Noble, M.C.; Marcellus, C.G.; Pennington, W.T.; Oakley, R.T.","Preparation and Crystal and Molecular Structure of S4 N4 H(+) B F4(-). Molecular Orbital Study of the Protonation of Tetrasulfur Tetranitride","Journal of the American Chemical Society","1983","105","","6008","6012","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000194","7.514","0.029","5.249","0.022","6.552","0.021","90","","116.1","0.3","90","","232.07","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 O2 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Eriks, K.; Hayden, T. D.; Yang, S. Hsi; Chan, I. Y.","Crystal and molecular structure of biacetyl (2,3-butanedione), (H~3~CCO)~2~, at -12 and -100 °C","Journal of the American Chemical Society","1983","105","12","3940","3942","10.1021/ja00350a032","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""